Vitas-M small molecule compound
3-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-methyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STL328668
SMILES CCC(c1cc(ccc1OCCCC[n+]1cn(c2c1cccc2)C)C(CC)(C)C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H41N2O MW 421.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41N2O/c1-8-27(3,4)22-16-17-26(23(20-22)28(5,6)9-2)31-19-13-12-18-30-21-29(7)24-14-10-11-15-25(24)30/h10-11,14-17,20-21H,8-9,12-13,18-19H2,1-7H3/q+1InChIKey
LLMRINXPTOCORC-UHFFFAOYSA-NSynonyms
1(4(24BIS(2METHYLBUTAN2YL)PHENOXY)BUTYL)3METHYLBENZIMIDAZOL3IUM
3(4(24bis(2methylbutan2yl)phenoxy)butyl)1methyl1H31benzimidazol3ium
CCC(C)(C)C1=CC(=C(C=C1)OCCCCN2C=(N+)(C3=CC=CC=C32)C)C(C)(C)CC
CCC(c1cc(ccc1OCCCC(n+)1cn(c2c1cccc2)C)C(CC)(C)C)(C)C
InChI=1SC28H41N2Oc1827(34)22161726(23(2022)28(56)92)3119131218302129(7)241410111525(24)30h101114172021H8912131819H217H3q+1
MFCD02235070
ZINC000002293656
ZINC02293656
ZINC2293656
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